(phenylmethyl) (3aS,7aS)-2-[(7-methyl-6-oxidanylidene-purin-1-yl)methyl]-2-oxidanyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate

Systemtic Name: (phenylmethyl) (3aS,7aS)-2-[(7-methyl-6-oxidanylidene-purin-1-yl)methyl]-2-oxidanyl-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate Openeye Name: benzyl (3aS,7aS)-2-hydroxy-2-[(7-methyl-6-oxo-purin-1-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate CAS Name: (3aS,7aS)-2-hydroxy-2-[(7-methyl-6-oxo-1-purinyl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3aS,7aS)-2-hydroxy-2-[(7-methyl-6-oxopurin-1-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylate Traditional Name: (3aS,7aS)-2-hydroxy-2-[(6-keto-7-methyl-purin-1-yl)methyl]-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine-4-carboxylic acid benzyl ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C=N2)CC3(CC4C(O3)CCCN4C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C=N2)CC3(C[C@H]4[C@@H](O3)CCCN4C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C22H25N5O5/c1-25-13-23-19-18(25)20(28)26(14-24-19)12-22(30)10-16-17(32-22)8-5-9-27(16)21(29)31-11-15-6-3-2-4-7-15/h2-4,6-7,13-14,16-17,30H,5,8-12H2,1H3/t16-,17-,22?/m0/s1